[(E,4Z)-4-(dimethylhydrazinylidene)-2-(4-nitrophenyl)but-2-enyl]-dimethylazanium

C14H21N4O2+ — CID 102052839

IUPAC[(E,4Z)-4-(dimethylhydrazinylidene)-2-(4-nitrophenyl)but-2-enyl]-dimethylazanium
SMILESCN(C)/N=C\C=C(\C[NH+](C)C)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H20N4O2/c1-16(2)11-13(9-10-15-17(3)4)12-5-7-14(8-6-12)18(19)20/h5-10H,11H2,1-4H3/p+1/b13-9-,15-10-
InChIKeyBIMMFEUGAXYNNP-VIYDEIPASA-O
MW277.35 g/mol
LogP0.67
Rot. Bonds6

About [(E,4Z)-4-(dimethylhydrazinylidene)-2-(4-nitrophenyl)but-2-enyl]-dimethylazanium

[(E,4Z)-4-(dimethylhydrazinylidene)-2-(4-nitrophenyl)but-2-enyl]-dimethylazanium (PubChem CID 102052839) has the molecular formula C14H21N4O2+ and a molecular weight of 277.35 g/mol. Its IUPAC name is [(E,4Z)-4-(dimethylhydrazinylidene)-2-(4-nitrophenyl)but-2-enyl]-dimethylazanium.

Molecular Properties

Compound Name[(E,4Z)-4-(dimethylhydrazinylidene)-2-(4-nitrophenyl)but-2-enyl]-dimethylazanium
PubChem CID102052839
Molecular FormulaC14H21N4O2+
Molecular Weight277.35 g/mol
Exact Mass277.17
IUPAC Name[(E,4Z)-4-(dimethylhydrazinylidene)-2-(4-nitrophenyl)but-2-enyl]-dimethylazanium
SMILESCN(C)/N=C\C=C(\C[NH+](C)C)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H20N4O2/c1-16(2)11-13(9-10-15-17(3)4)12-5-7-14(8-6-12)18(19)20/h5-10H,11H2,1-4H3/p+1/b13-9-,15-10-
InChIKeyBIMMFEUGAXYNNP-VIYDEIPASA-O
XLogP0.67
TPSA63.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(E,4Z)-4-(dimethylhydrazinylidene)-2-(4-nitrophenyl)but-2-enyl]-dimethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2Z)-2-(dimethylhydrazinylidene)-1-(4-nitrophenyl)ethanone
CID 6433899
(NE)-N-[2-methylsulfonyl-1-(4-nitrophenyl)ethylidene]hydroxylamine
CID 102550829
[(E)-pent-1-enyl] 4-nitrobenzoate
CID 142791042
(E)-4-(dimethylamino)-3-(4-nitrophenyl)but-3-en-2-one
CID 122509352
(E)-3-(dimethylamino)-2-(4-nitrophenyl)prop-2-enenitrile
CID 87544394
1-[(E)-1-methylsulfinylprop-1-en-2-yl]-4-nitrobenzene
CID 11127977
N,N-dimethyl-4-(4-nitrophenyl)-4-phenylbuta-1,3-dien-1-amine
CID 90893245
ethane;1-(4-nitrophenyl)ethanone
CID 172597016
1,4-dinitrobenzene;nitrous acid
CID 174371180
N-[2-ethylsulfonyl-1-(4-nitrophenyl)ethylidene]hydroxylamine
CID 131849820
3-ethylpentan-3-ol;4-nitrobenzoic acid
CID 71350734
1-[(Z)-1,2-dibromo-2-(4-nitrophenyl)ethenyl]-4-nitrobenzene
CID 10387830

Frequently Asked Questions

What is the IUPAC name of [(E,4Z)-4-(dimethylhydrazinylidene)-2-(4-nitrophenyl)but-2-enyl]-dimethylazanium?
The IUPAC name of [(E,4Z)-4-(dimethylhydrazinylidene)-2-(4-nitrophenyl)but-2-enyl]-dimethylazanium (CID 102052839) is [(E,4Z)-4-(dimethylhydrazinylidene)-2-(4-nitrophenyl)but-2-enyl]-dimethylazanium.
What is the SMILES notation for [(E,4Z)-4-(dimethylhydrazinylidene)-2-(4-nitrophenyl)but-2-enyl]-dimethylazanium?
The canonical SMILES for [(E,4Z)-4-(dimethylhydrazinylidene)-2-(4-nitrophenyl)but-2-enyl]-dimethylazanium is CN(C)/N=C\C=C(\C[NH+](C)C)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of [(E,4Z)-4-(dimethylhydrazinylidene)-2-(4-nitrophenyl)but-2-enyl]-dimethylazanium?
The InChIKey is BIMMFEUGAXYNNP-VIYDEIPASA-O. The full InChI is InChI=1S/C14H20N4O2/c1-16(2)11-13(9-10-15-17(3)4)12-5-7-14(8-6-12)18(19)20/h5-10H,11H2,1-4H3/p+1/b13-9-,15-10-.
What are the key properties of [(E,4Z)-4-(dimethylhydrazinylidene)-2-(4-nitrophenyl)but-2-enyl]-dimethylazanium?
[(E,4Z)-4-(dimethylhydrazinylidene)-2-(4-nitrophenyl)but-2-enyl]-dimethylazanium has a molecular weight of 277.35 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,4Z)-4-(dimethylhydrazinylidene)-2-(4-nitrophenyl)but-2-enyl]-dimethylazanium is sourced from PubChem (CID 102052839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).